9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole

C44H35N3 — CID 67574355

IUPAC9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole
SMILESCCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C44H35N3/c1-3-30-18-24-42-38(26-30)39-27-31(4-2)19-25-43(39)47(42)37-22-20-32(21-23-37)35-16-11-17-36(28-35)41-29-40(33-12-7-5-8-13-33)45-44(46-41)34-14-9-6-10-15-34/h5-29H,3-4H2,1-2H3
InChIKeyMIKPLVJQOISJAE-UHFFFAOYSA-N
MW605.79 g/mol
LogP11.37
Rot. Bonds7

About 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole

9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole (PubChem CID 67574355) has the molecular formula C44H35N3 and a molecular weight of 605.79 g/mol. Its IUPAC name is 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole.

Molecular Properties

Compound Name9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole
PubChem CID67574355
Molecular FormulaC44H35N3
Molecular Weight605.79 g/mol
Exact Mass605.28
IUPAC Name9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole
SMILESCCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C44H35N3/c1-3-30-18-24-42-38(26-30)39-27-31(4-2)19-25-43(39)47(42)37-22-20-32(21-23-37)35-16-11-17-36(28-35)41-29-40(33-12-7-5-8-13-33)45-44(46-41)34-14-9-6-10-15-34/h5-29H,3-4H2,1-2H3
InChIKeyMIKPLVJQOISJAE-UHFFFAOYSA-N
XLogP11.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole
CID 59758289
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 58971485
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole?
The IUPAC name of 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole (CID 67574355) is 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole.
What is the SMILES notation for 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole?
The canonical SMILES for 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole is CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole?
The InChIKey is MIKPLVJQOISJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3/c1-3-30-18-24-42-38(26-30)39-27-31(4-2)19-25-43(39)47(42)37-22-20-32(21-23-37)35-16-11-17-36(28-35)41-29-40(33-12-7-5-8-13-33)45-44(46-41)34-14-9-6-10-15-34/h5-29H,3-4H2,1-2H3.
What are the key properties of 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole?
9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole has a molecular weight of 605.79 g/mol, XLogP of 11.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole is sourced from PubChem (CID 67574355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).